Dissecting the Hydrophobic Effect on the Molecular Level: The Role of Water, Enthalpy, and Entropy in Ligand Binding to Thermolysin

Water Makes the Difference: Rearrangement of Water Solvation Layer Triggers Non-additivity of Functional Group Contributions in Protein-Ligand Binding

(2012) Adam Biela et al.   ChemMedChem

Methyl Effects on Protein–Ligand Binding

(2012) Cheryl S. Leung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Water Mediated Ligand Functional Group Cooperativity: The Contribution of a Methyl Group to Binding Affinity is Enhanced by a COO– Group Through Changes in the Structure and Thermodynamics of the Hydration Waters of Ligand–Thermolysin Complexes

(2012) Nader N. Nasief et al.   JOURNAL OF MEDICINAL CHEMISTRY

Ligand Binding Stepwise Disrupts Water Network in Thrombin: Enthalpic and Entropic Changes Reveal Classical Hydrophobic Effect

(2012) Adam Biela et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rational Approaches to Improving Selectivity in Drug Design

(2012) David J. Huggins et al.   JOURNAL OF MEDICINAL CHEMISTRY

Experimental and Computational Active Site Mapping as a Starting Point to Fragment-Based Lead Discovery

(2011) Jürgen Behnen et al.   ChemMedChem

Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase

(2011) P. W. Snyder et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: Binding of phosphonamidate to the S1'-pocket of thermolysin

(2010) L. Englert et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition

(2010) Lisa Englert et al.   ChemMedChem